Glycoside
...
GD119093

Name:
None

Formula:
C38H34O14N2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)OC(=O)C(O)C(=O)O)C(O)C2O)c1

Aglycone:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=C(O)C(O)C(=O)OCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 7 FractionCSP3: 0.24
AlogP: 2.36 Num_rotatable_bonds: 10
MolWt: 742.69 Num_heavy_atoms: 54
TPSA: 243.37 NumAromaticRings: 6

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
AD47672
Formula: C4H6O6

Smiles:
O=C(O)C(O)C(=O)OCO
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.5
AlogP: -2.08 Num_rotatable_bonds: 3
MolWt: 150.09 Num_heavy_atoms: 10
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O